[3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid

C19H24N2O2 — CID 3027984

IUPAC[3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid
SMILESCCN(CC)CCc1cc(NC(=O)O)ccc1-c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-3-21(4-2)13-12-16-14-17(20-19(22)23)10-11-18(16)15-8-6-5-7-9-15/h5-11,14,20H,3-4,12-13H2,1-2H3,(H,22,23)
InChIKeyQHDJMXNQCYYCBN-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.33
Rot. Bonds7

About [3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid

[3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid (PubChem CID 3027984) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid.

Molecular Properties

Compound Name[3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid
PubChem CID3027984
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid
SMILESCCN(CC)CCc1cc(NC(=O)O)ccc1-c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-3-21(4-2)13-12-16-14-17(20-19(22)23)10-11-18(16)15-8-6-5-7-9-15/h5-11,14,20H,3-4,12-13H2,1-2H3,(H,22,23)
InChIKeyQHDJMXNQCYYCBN-UHFFFAOYSA-N
XLogP4.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid?
The IUPAC name of [3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid (CID 3027984) is [3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid.
What is the SMILES notation for [3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid?
The canonical SMILES for [3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid is CCN(CC)CCc1cc(NC(=O)O)ccc1-c1ccccc1.
What is the InChIKey of [3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid?
The InChIKey is QHDJMXNQCYYCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-21(4-2)13-12-16-14-17(20-19(22)23)10-11-18(16)15-8-6-5-7-9-15/h5-11,14,20H,3-4,12-13H2,1-2H3,(H,22,23).
What are the key properties of [3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid?
[3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid has a molecular weight of 312.41 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(diethylamino)ethyl]-4-phenylphenyl]carbamic acid is sourced from PubChem (CID 3027984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).